Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 11/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28648145 | 1.00 | CYP2D6 (0.47) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL31251011 | 0.92 | CYP2D6 (0.42) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL29265449 | 0.90 | CA1 (0.42) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL30422267 | 0.90 | CA1 (0.42) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL26501084 | 0.88 | CYP1A2 (0.47) | CYP2D6CTSKCTSSKMT2ACYP1A2 | |
| SCHEMBL19412348 | 0.88 | CA1 (0.41) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL19412345 | 0.88 | CA1 (0.41) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL29402441 | 0.86 | CTSK (0.42) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL14265314 | 0.86 | CTSK (0.42) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL18427981 | 0.85 | CYP2D6 (0.54) | CYP2D6CA1CA2CA7CTSK |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113631569-A | Process for the synthesis of beta-homoamino acids | 领导医疗有限公司 | 2021-11-09 | — | — | CN | disclosed |